5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C103H125Cl4F8N27O4 — CID 158241442

About 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 158241442) has the molecular formula C103H125Cl4F8N27O4 and a molecular weight of 2099.11 g/mol. Its IUPAC name is 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 158241442
• Molecular Formula: C103H125Cl4F8N27O4
• Molecular Weight: 2099.11 g/mol
• Exact Mass: 2095.90
• IUPAC Name: 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
• SMILES: CCNC(=O)C(CC)N1CCC(c2cc(C)c(Cc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(Cc2nc(Cc3cc(C4CCN(CC(O)C(F)(F)F)CC4)c(F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4Cc4c(C)noc4C)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(O)C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1
• InChI: InChI=1S/C28H38ClN7O.C27H33ClN8O.C25H28ClF4N5O.C23H26ClF4N7O/c1-6-24(28(37)30-7-2)36-10-8-20(9-11-36)22-13-17(3)21(12-18(22)4)15-25-31-16-23(29)27(32-25)33-26-14-19(5)34-35-26;1-15-11-23(30-27-29-13-22(28)26(32-27)31-25-12-17(3)33-34-25)16(2)10-20(15)24-8-6-7-9-36(24)14-21-18(4)35-37-19(21)5;1-14-7-21(27)19(16-3-5-35(6-4-16)13-23(36)25(28,29)30)9-17(14)10-24-31-12-20(26)22(32-24)11-18-8-15(2)33-34-18;1-12-7-18(30-22-29-10-16(24)21(32-22)31-20-8-13(2)33-34-20)17(25)9-15(12)14-3-5-35(6-4-14)11-19(36)23(26,27)28/h12-14,16,20,24H,6-11,15H2,1-5H3,(H,30,37)(H2,31,32,33,34,35);10-13,24H,6-9,14H2,1-5H3,(H3,29,30,31,32,33,34);7-9,12,16,23,36H,3-6,10-11,13H2,1-2H3,(H,33,34);7-10,14,19,36H,3-6,11H2,1-2H3,(H3,29,30,31,32,33,34)
• InChIKey: GFOYAJPPJJLIJW-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 386.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.11
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

The IUPAC name of 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 158241442) is 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

The canonical SMILES for 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CCNC(=O)C(CC)N1CCC(c2cc(C)c(Cc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.Cc1cc(Cc2nc(Cc3cc(C4CCN(CC(O)C(F)(F)F)CC4)c(F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4Cc4c(C)noc4C)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(O)C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

The InChIKey is GFOYAJPPJJLIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN7O.C27H33ClN8O.C25H28ClF4N5O.C23H26ClF4N7O/c1-6-24(28(37)30-7-2)36-10-8-20(9-11-36)22-13-17(3)21(12-18(22)4)15-25-31-16-23(29)27(32-25)33-26-14-19(5)34-35-26;1-15-11-23(30-27-29-13-22(28)26(32-27)31-25-12-17(3)33-34-25)16(2)10-20(15)24-8-6-7-9-36(24)14-21-18(4)35-37-19(21)5;1-14-7-21(27)19(16-3-5-35(6-4-16)13-23(36)25(28,29)30)9-17(14)10-24-31-12-20(26)22(32-24)11-18-8-15(2)33-34-18;1-12-7-18(30-22-29-10-16(24)21(32-22)31-20-8-13(2)33-34-20)17(25)9-15(12)14-3-5-35(6-4-14)11-19(36)23(26,27)28/h12-14,16,20,24H,6-11,15H2,1-5H3,(H,30,37)(H2,31,32,33,34,35);10-13,24H,6-9,14H2,1-5H3,(H3,29,30,31,32,33,34);7-9,12,16,23,36H,3-6,10-11,13H2,1-2H3,(H,33,34);7-10,14,19,36H,3-6,11H2,1-2H3,(H3,29,30,31,32,33,34).

What are the key properties of 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 2099.11 g/mol, XLogP of 21.90, 30 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-ethylbutanamide;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 158241442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).